SCHEMBL15466818

SCHEMBL15466818

C#CCCCC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
GSTP1 P09211 1/20 0.31
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15466429 0.90
SCHEMBL15472791 0.83
SCHEMBL1615758 0.82 ALDH1A1 (0.33) L3MBTL1ALDH1A1
SCHEMBL27445171 0.82 ALOX5 (0.40) ALOX5PTGS1PTGS2CNR1CNR2
SCHEMBL16670212 0.81 DGKA (0.50) MAPTTSHRMEN1ALDH1A1KMT2A
SCHEMBL31678974 0.79 DGKA (0.53) MAPTTSHRMEN1ALDH1A1KMT2A
SCHEMBL16669978 0.79 DGKA (0.53) MAPTTSHRMEN1ALDH1A1KMT2A
SCHEMBL15465799 0.78
SCHEMBL15443057 0.78 ALOX5 (0.33) ALOX5PTGS1PTGS2MAPTCYP1A2
SCHEMBL20502641 0.78 CNR1 (0.38) ALOX5PTGS1PTGS2CNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816124-B2 Ester-based reactive plasticizer for plastic bonded explosives AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-08-26 US claimed
US-20140046091-A1 Ester-Based Reactive Plasticizer For Plastic Bonded Explosives AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-02-13 US claimed
US-8816124-B2 Ester-based reactive plasticizer for plastic bonded explosives AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-08-26 US disclosed
US-8816124-B2 Ester-based reactive plasticizer for plastic bonded explosives AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-08-26 US disclosed
US-8816124-B2 Ester-based reactive plasticizer for plastic bonded explosives AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-08-26 US disclosed
US-20140046091-A1 Ester-Based Reactive Plasticizer For Plastic Bonded Explosives AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-02-13 US disclosed
US-20140046091-A1 Ester-Based Reactive Plasticizer For Plastic Bonded Explosives AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-02-13 US disclosed
US-20140046091-A1 Ester-Based Reactive Plasticizer For Plastic Bonded Explosives AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-02-13 US disclosed